NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
567195 |
2me4   |
19515 | cing | 2-parsed | STAR | dipolar coupling |
data_2me4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2me4
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2me4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2me4
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2me4 "Master copy" parsed_2me4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2me4
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2me4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2me4 1
1 2me4.mr . . XPLOR/CNS 2 distance NOE simple 430 parsed_2me4 1
1 2me4.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_2me4 1
1 2me4.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2me4 1
1 2me4.mr . . XPLOR/CNS 5 unknown "Not applicable" "Not applicable" 0 parsed_2me4 1
1 2me4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2me4 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2me4
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
assign ( resid 666 and name N )
( resid 666 and name HN ) -3.14 1.00
;
2 1 3 47 parsed_2me4 1
2
;
assign ( resid 668 and name N )
( resid 668 and name HN ) 2.28 1.00
;
4 1 5 47 parsed_2me4 1
3
;
assign ( resid 669 and name N )
( resid 669 and name HN ) 0.80 1.00
;
6 1 7 47 parsed_2me4 1
4
;
assign ( resid 670 and name N )
( resid 670 and name HN ) 5.79 1.00
;
8 1 9 47 parsed_2me4 1
5
;
assign ( resid 671 and name N )
( resid 671 and name HN ) 5.08 1.00
;
10 1 11 47 parsed_2me4 1
6
;
assign ( resid 672 and name N )
( resid 672 and name HN ) -0.95 1.00
;
12 1 13 47 parsed_2me4 1
7
;
assign ( resid 665 and name C )
( resid 666 and name N ) 4.97 1.00
;
14 1 15 47 parsed_2me4 1
8
;
assign ( resid 666 and name C )
( resid 667 and name N ) -4.71 1.00
;
16 1 17 47 parsed_2me4 1
9
;
assign ( resid 667 and name C )
( resid 668 and name N ) -0.71 1.00
;
18 1 19 47 parsed_2me4 1
10
;
assign ( resid 668 and name C )
( resid 669 and name N ) -2.55 1.00
;
20 1 21 47 parsed_2me4 1
11
;
assign ( resid 669 and name C )
( resid 670 and name N ) -4.57 1.00
;
22 1 23 47 parsed_2me4 1
12
;
assign ( resid 670 and name C )
( resid 671 and name N ) 4.26 1.00
;
24 1 25 47 parsed_2me4 1
13
;
assign ( resid 671 and name C )
( resid 672 and name N ) -5.85 1.00
;
26 1 27 47 parsed_2me4 1
14
;
assign ( resid 666 and name CA )
( resid 666 and name C ) -5.59 1.00
;
28 1 29 47 parsed_2me4 1
15
;
assign ( resid 668 and name CA )
( resid 668 and name C ) 2.99 1.00
;
30 1 31 47 parsed_2me4 1
16
;
assign ( resid 669 and name CA )
( resid 669 and name C ) 2.39 1.00
;
32 1 33 47 parsed_2me4 1
17
;
assign ( resid 670 and name CA )
( resid 670 and name C ) -2.61 1.00
;
34 1 35 47 parsed_2me4 1
18
;
assign ( resid 671 and name CA )
( resid 671 and name C ) 0.02 1.00
;
36 1 37 47 parsed_2me4 1
19
;
assign ( resid 672 and name CA )
( resid 672 and name C ) 3.92 1.00
;
38 1 39 47 parsed_2me4 1
20
;
assign ( resid 666 and name CA )
( resid 666 and name HA ) -6.99 1.00
;
40 1 41 47 parsed_2me4 1
21
;
assign ( resid 668 and name CA )
( resid 668 and name HA ) -6.61 1.00
;
42 1 43 47 parsed_2me4 1
22
;
assign ( resid 669 and name CA )
( resid 669 and name HA ) -2.42 1.00
;
44 1 45 47 parsed_2me4 1
23
;
assign ( resid 670 and name CA )
( resid 670 and name HA ) 4.46 1.00
;
46 1 47 47 parsed_2me4 1
24
;
assign ( resid 671 and name CA )
( resid 671 and name HA ) -2.46 1.00
;
48 1 49 47 parsed_2me4 1
25
;
assign ( resid 672 and name CA )
( resid 672 and name HA ) -2.46 1.00
;
50 1 51 47 parsed_2me4 1
26
;
assign ( resid 675 and name N )
( resid 675 and name HN ) -0.29 1.00
;
53 1 54 47 parsed_2me4 1
27
;
assign ( resid 676 and name N )
( resid 676 and name HN ) -1.04 1.00
;
55 1 56 47 parsed_2me4 1
28
;
assign ( resid 677 and name N )
( resid 677 and name HN ) -1.74 1.00
;
57 1 58 47 parsed_2me4 1
29
;
assign ( resid 678 and name N )
( resid 678 and name HN ) -1.33 1.00
;
59 1 60 47 parsed_2me4 1
30
;
assign ( resid 679 and name N )
( resid 679 and name HN ) -3.03 1.00
;
61 1 62 47 parsed_2me4 1
31
;
assign ( resid 680 and name N )
( resid 680 and name HN ) 0.11 1.00
;
63 1 64 47 parsed_2me4 1
32
;
assign ( resid 681 and name N )
( resid 681 and name HN ) -2.09 1.00
;
65 1 66 47 parsed_2me4 1
33
;
assign ( resid 682 and name N )
( resid 682 and name HN ) -2.89 1.00
;
67 1 68 47 parsed_2me4 1
34
;
assign ( resid 674 and name C )
( resid 675 and name N ) 6.83 1.00
;
69 1 70 47 parsed_2me4 1
35
;
assign ( resid 675 and name C )
( resid 676 and name N ) -3.21 1.00
;
71 1 72 47 parsed_2me4 1
36
;
assign ( resid 676 and name C )
( resid 677 and name N ) 2.21 1.00
;
73 1 74 47 parsed_2me4 1
37
;
assign ( resid 677 and name C )
( resid 678 and name N ) 1.81 1.00
;
75 1 76 47 parsed_2me4 1
38
;
assign ( resid 678 and name C )
( resid 679 and name N ) -1.46 1.00
;
77 1 78 47 parsed_2me4 1
39
;
assign ( resid 679 and name C )
( resid 680 and name N ) 3.10 1.00
;
79 1 80 47 parsed_2me4 1
40
;
assign ( resid 680 and name C )
( resid 681 and name N ) -2.03 1.00
;
81 1 82 47 parsed_2me4 1
41
;
assign ( resid 681 and name C )
( resid 682 and name N ) 0.27 1.00
;
83 1 84 47 parsed_2me4 1
42
;
assign ( resid 675 and name CA )
( resid 675 and name C ) -2.92 1.00
;
85 1 86 47 parsed_2me4 1
43
;
assign ( resid 676 and name CA )
( resid 676 and name C ) 0.87 1.00
;
87 1 88 47 parsed_2me4 1
44
;
assign ( resid 677 and name CA )
( resid 677 and name C ) -1.89 1.00
;
89 1 90 47 parsed_2me4 1
45
;
assign ( resid 678 and name CA )
( resid 678 and name C ) 3.09 1.00
;
91 1 92 47 parsed_2me4 1
46
;
assign ( resid 679 and name CA )
( resid 679 and name C ) -3.04 1.00
;
93 1 94 47 parsed_2me4 1
47
;
assign ( resid 681 and name CA )
( resid 681 and name C ) 2.35 1.00
;
95 1 96 47 parsed_2me4 1
48
;
assign ( resid 682 and name CA )
( resid 682 and name C ) -1.04 1.00
;
97 1 98 47 parsed_2me4 1
49
;
assign ( resid 676 and name CA )
( resid 676 and name HA ) 5.51 1.00
;
99 1 100 47 parsed_2me4 1
50
;
assign ( resid 677 and name CA )
( resid 677 and name HA ) -4.74 1.00
;
101 1 102 47 parsed_2me4 1
51
;
assign ( resid 678 and name CA )
( resid 678 and name HA ) 1.47 1.00
;
103 1 104 47 parsed_2me4 1
52
;
assign ( resid 679 and name CA )
( resid 679 and name HA ) -0.09 1.00
;
105 1 106 47 parsed_2me4 1
53
;
assign ( resid 680 and name CA )
( resid 680 and name HA ) 0.63 1.00
;
107 1 108 47 parsed_2me4 1
54
;
assign ( resid 681 and name CA )
( resid 681 and name HA ) -0.19 1.00
;
109 1 110 47 parsed_2me4 1
55
;
assign ( resid 682 and name CA )
( resid 682 and name HA ) -1.68 1.00
;
111 1 112 47 parsed_2me4 1
stop_
save_
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